2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide

C26H30N2O4S — CID 133229072

IUPAC2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCC(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-32-24-14-12-23(13-15-24)28(33(30,31)25-16-10-20(2)11-17-25)19-26(29)27-18-21(3)22-8-6-5-7-9-22/h5-17,21H,4,18-19H2,1-3H3,(H,27,29)
InChIKeyDJWAOBJARPNXET-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.51
Rot. Bonds10

About 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide

2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide (PubChem CID 133229072) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
PubChem CID133229072
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCC(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-32-24-14-12-23(13-15-24)28(33(30,31)25-16-10-20(2)11-17-25)19-26(29)27-18-21(3)22-8-6-5-7-9-22/h5-17,21H,4,18-19H2,1-3H3,(H,27,29)
InChIKeyDJWAOBJARPNXET-UHFFFAOYSA-N
XLogP4.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185344
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057159
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058021
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631808
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902437
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344954
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide (CID 133229072) is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide is CCOc1ccc(N(CC(=O)NCC(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The InChIKey is DJWAOBJARPNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-32-24-14-12-23(13-15-24)28(33(30,31)25-16-10-20(2)11-17-25)19-26(29)27-18-21(3)22-8-6-5-7-9-22/h5-17,21H,4,18-19H2,1-3H3,(H,27,29).
What are the key properties of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 133229072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).